3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol

C12H22F3NO — CID 103271422

IUPAC3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CCCC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C12H22F3NO/c1-9(3-2-6-12(13,14)15)16-8-10-4-5-11(17)7-10/h9-11,16-17H,2-8H2,1H3
InChIKeyVNBYOEMCVQHGLO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds6

About 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol

3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 103271422) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID103271422
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CCCC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C12H22F3NO/c1-9(3-2-6-12(13,14)15)16-8-10-4-5-11(17)7-10/h9-11,16-17H,2-8H2,1H3
InChIKeyVNBYOEMCVQHGLO-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
CID 155451240
(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
CID 163637378
3-(Ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 83960338
3-(Propylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 83960339
1-[1-Cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992450
1-[1-(Cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992592
1-[1-Cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993144
1-[1-(Cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993286
2-[2-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 84073116
1-[3-(difluoromethoxy)cyclopentyl]-N-methylmethanamine
CID 84718118
1,1,1-Trifluoro-3-pyrrolidin-3-ylpropan-2-ol
CID 84732502
2-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 102869688

Frequently Asked Questions

What is the IUPAC name of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol (CID 103271422) is 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol is CC(CCCC(F)(F)F)NCC1CCC(O)C1.
What is the InChIKey of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is VNBYOEMCVQHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(3-2-6-12(13,14)15)16-8-10-4-5-11(17)7-10/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol?
3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).